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Department of Chemistry


The software available includes:

  • Rigaku-Oxford Diffraction CrysAlisPro fully integrated diffractometer software system for data collection, frame integration, twin handling, absorption corrections, frame scaling and data reduction.
  • Rigaku-Oxford Diffraction AutoChem software for automated structure solution and refinement in chemical crystallography.
  • The Olex2 software package for the determination, visualisation and analysis of molecular crystal structures.
  • The WinGX software package for controlling structure solution and refinement, molecular graphics and preparation of reports and tables.
  • SHELXL for structure refinement.
  • CRYSTALS for structure refinement.
  • An extensive range of structure solution programs, including SHELXT, SHELXS, DIRDIF, SIR, Superflip.
  • PLATON for comprehensive analysis, validation and visualisation of the structural results.
  • ORTEP, PLATON/PLUTON, Mercury and Diamond for molecular graphics.

Crystallography and other databases that are accessible:

Crystallography and other journals:

Weiterführende Informationen